[(1S)-1-cyanoethyl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: [(1S)-1-cyanoethyl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [(1S)-1-cyanoethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [(1S)-1-cyanoethyl] ester IUPAC Name: [(1S)-1-cyanoethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid [(1S)-1-cyanoethyl] ester Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C=CC1=CN(N=C1)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C#N)OC(=O)/C=C/C1=CN(N=C1)CC2=CC=CC=C2

InChI

InChI=1S/C16H15N3O2/c1-13(9-17)21-16(20)8-7-15-10-18-19(12-15)11-14-5-3-2-4-6-14/h2-8,10,12-13H,11H2,1H3/b8-7+/t13-/m0/s1